# generated using pymatgen
data_Zr3Sc4NbRu8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43019466
_cell_length_b   4.54803945
_cell_length_c   9.09585755
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00042258
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc4NbRu8
_chemical_formula_sum   'Zr3 Sc4 Nb1 Ru8'
_cell_volume   266.00634365
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr0  1  0.25000291  0.25000100  0.12458368  1.0
  Zr  Zr1  1  0.75001128  0.75000000  0.37498939  1.0
  Zr  Zr2  1  0.24999149  0.25000100  0.62542409  1.0
  Sc  Sc3  1  0.75001763  0.25000100  0.12405267  1.0
  Sc  Sc4  1  0.25000790  0.75000000  0.37499167  1.0
  Sc  Sc5  1  0.74999327  0.25000100  0.62594569  1.0
  Sc  Sc6  1  0.24998431  0.75000000  0.87501129  1.0
  Nb  Nb7  1  0.74998621  0.75000000  0.87500802  1.0
  Ru  Ru8  1  0.50329019  0.75000000  0.11990239  1.0
  Ru  Ru9  1  0.99672331  0.75000000  0.11990520  1.0
  Ru  Ru10  1  0.49981311  0.25000100  0.37498848  1.0
  Ru  Ru11  1  0.00020310  0.25000100  0.37498764  1.0
  Ru  Ru12  1  0.99670646  0.75000000  0.63009576  1.0
  Ru  Ru13  1  0.50328190  0.75000000  0.63009666  1.0
  Ru  Ru14  1  0.99332634  0.25000100  0.87500914  1.0
  Ru  Ru15  1  0.50665960  0.25000100  0.87501024  1.0